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The Journal of Physical Chemistry. B|February 4, 2010
Free energy reconstruction in bidirectional force spectroscopy experiments: the effect of the device stiffnessSimone Marsili, Piero Procacci
Journal of Chemical Theory and Computation|November 19, 2015
Energy-Driven Undocking (EDU-HREM) in Solute Tempering Replica Exchange SimulationsPiero Procacci, Marco Bizzarri, Simone Marsili
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|June 4, 2008
Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimatorsRiccardo Chelli, Simone Marsili, Piero Procacci
The Journal of Physical Chemistry. B|April 20, 2011
Intraligand hydrophobic interactions rationalize drug affinities for peptidyl-prolyl cis-trans isomerase proteinMarco Bizzarri, Simone Marsili, Piero Procacci
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|August 7, 2007
Generalization of the Jarzynski and Crooks nonequilibrium work theorems in molecular dynamics simulationsRiccardo Chelli, Simone Marsili, Alessandro Barducci, et al.
Physical Chemistry Chemical Physics : PCCP|May 10, 2008
Thermodynamics of stacking interactions in proteinsSimone Marsili, Riccardo Chelli, Vincenzo Schettino, et al.
The Journal of Chemical Physics|February 9, 2007
Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: a strategy based on the equations of motionRiccardo Chelli, Simone Marsili, Alessandro Barducci, et al.
The Journal of Chemical Physics|July 28, 2007
Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulationsRiccardo Chelli, Simone Marsili, Alessandro Barducci, et al.
Journal of the American Chemical Society|November 7, 2009
Fragment 101-108 of myelin oligodendrocyte glycoprotein: a possible lead compound for multiple sclerosisCarlo Guardiani, Simone Marsili, Piero Procacci, et al.
Proceedings of the National Academy of Sciences of the United States of America|December 15, 2016
Conservation of coevolving protein interfaces bridges prokaryote-eukaryote homologies in the twilight zoneJuan Rodriguez-Rivas, Simone Marsili, David Juan, et al.
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